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	hartrees
Energy at 0K	-153.816055
Energy at 298.15K	-153.820205
Nuclear repulsion energy	70.176526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3796	3647	21.77
2	A'	3264	3136	10.73
3	A'	3204	3079	7.86
4	A'	3163	3039	6.88
5	A'	1727	1659	152.98
6	A'	1460	1403	16.82
7	A'	1367	1314	2.28
8	A'	1334	1281	5.69
9	A'	1131	1087	184.71
10	A'	967	929	7.79
11	A'	492	473	13.20
12	A"	1001	962	25.61
13	A"	817	785	59.43
14	A"	715	687	0.00
15	A"	477	459	120.12

Atom	x (Å)	y (Å)
C1	1.216	-0.108
C2	0.000	0.440
O3	-1.197	-0.210
H4	1.368	-1.184
H5	2.096	0.523
H6	-0.155	1.515
H7	-1.033	-1.164

	C1	C2	O3	H4	H5	H6	H7
C1		1.3338	2.4147	1.0870	1.0826	2.1249	2.4845
C2	1.3338		1.3617	2.1239	2.0975	1.0863	1.9079
O3	2.4147	1.3617		2.7438	3.3730	2.0152	0.9680
H4	1.0870	2.1239	2.7438		1.8554	3.0998	2.4014
H5	1.0826	2.0975	3.3730	1.8554		2.4602	3.5545
H6	2.1249	1.0863	2.0152	3.0998	2.4602		2.8194
H7	2.4845	1.9079	0.9680	2.4014	3.5545	2.8194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.225	C1	C2	H6	122.474
C2	C1	H4	122.325	C2	C1	H5	120.108
C2	O3	H7	108.777	O3	C2	H6	110.301
H4	C1	H5	117.567

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: B3LYP/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.299
2	C	0.187
3	O	-0.498
4	H	0.082
5	H	0.102
6	H	0.110
7	H	0.316

	x	y	z	Total
	0.490	-0.850	0.000	0.981
CHELPG
AIM
ESP

	x	y	z
x	5.152	-0.252	0.000
y	-0.252	3.892	0.000
z	0.000	0.000	1.621

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)